[6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid

C16H20F2N2O2 — CID 69001435

IUPAC[6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
SMILESCC(C)(C)C1(NC(=O)O)C2CN(c3ccc(F)cc3F)CC21
InChIInChI=1S/C16H20F2N2O2/c1-15(2,3)16(19-14(21)22)10-7-20(8-11(10)16)13-5-4-9(17)6-12(13)18/h4-6,10-11,19H,7-8H2,1-3H3,(H,21,22)
InChIKeyDXHJLVZJKWWSOG-UHFFFAOYSA-N
MW310.34 g/mol
LogP3.08
Rot. Bonds2

About [6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid

[6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid (PubChem CID 69001435) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is [6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid.

Molecular Properties

Compound Name[6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
PubChem CID69001435
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name[6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
SMILESCC(C)(C)C1(NC(=O)O)C2CN(c3ccc(F)cc3F)CC21
InChIInChI=1S/C16H20F2N2O2/c1-15(2,3)16(19-14(21)22)10-7-20(8-11(10)16)13-5-4-9(17)6-12(13)18/h4-6,10-11,19H,7-8H2,1-3H3,(H,21,22)
InChIKeyDXHJLVZJKWWSOG-UHFFFAOYSA-N
XLogP3.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid with MolForge

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Related Compounds

tert-butyl-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
CID 69001434
2-(3-tert-butylazetidin-1-yl)-5-fluorobenzoic acid
CID 79686313
2-chloro-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 68855710
5-[[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 124682768
tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
CID 113079908
3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine
CID 171417189
2-(2-amino-4-fluoroanilino)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 68856437
6-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]spiro[3.3]heptane-2-carboxylic acid
CID 166262357
N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine
CID 83991736
1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 82538014
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 95293761

Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
The IUPAC name of [6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid (CID 69001435) is [6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid.
What is the SMILES notation for [6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
The canonical SMILES for [6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid is CC(C)(C)C1(NC(=O)O)C2CN(c3ccc(F)cc3F)CC21.
What is the InChIKey of [6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
The InChIKey is DXHJLVZJKWWSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-15(2,3)16(19-14(21)22)10-7-20(8-11(10)16)13-5-4-9(17)6-12(13)18/h4-6,10-11,19H,7-8H2,1-3H3,(H,21,22).
What are the key properties of [6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
[6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid has a molecular weight of 310.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid is sourced from PubChem (CID 69001435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).