[(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid

C7H12F2N2O2 — CID 67144741

IUPAC[(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid
SMILESN[C@@H]1[C@H](NC(=O)O)CCCC1(F)F
InChIInChI=1S/C7H12F2N2O2/c8-7(9)3-1-2-4(5(7)10)11-6(12)13/h4-5,11H,1-3,10H2,(H,12,13)/t4-,5-/m1/s1
InChIKeyBYCGIJFELHGRLQ-RFZPGFLSSA-N
MW194.18 g/mol
LogP0.77
Rot. Bonds1

About [(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid

[(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid (PubChem CID 67144741) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is [(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid
PubChem CID67144741
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name[(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid
SMILESN[C@@H]1[C@H](NC(=O)O)CCCC1(F)F
InChIInChI=1S/C7H12F2N2O2/c8-7(9)3-1-2-4(5(7)10)11-6(12)13/h4-5,11H,1-3,10H2,(H,12,13)/t4-,5-/m1/s1
InChIKeyBYCGIJFELHGRLQ-RFZPGFLSSA-N
XLogP0.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Fluorocyclohexyl)carbamic acid
CID 22224995
[(1S,2S)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid
CID 67238173
[(1R,2R)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid
CID 67238174
[(1S,5R)-5-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid
CID 67491194
(4,4-Difluorocyclohexyl)carbamic acid
CID 67528704
[(1R,6R)-6-amino-2,2-difluorocyclohexyl]carbamic acid
CID 68093834
[(1R)-2-amino-3,3-difluorocyclohexyl]carbamic acid
CID 68776555
[(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid
CID 68779730
(4,4-Difluoropiperidin-3-yl)carbamic acid
CID 69042639
[2-[(2,2,2-Trifluoroacetyl)amino]cyclohexyl]carbamic acid
CID 87320818
[(1R,6S)-6-amino-2,2-difluorocyclohexyl]carbamic acid
CID 89735263
(5-Fluoropiperidin-2-yl)methylcarbamic acid
CID 89740033

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid?
The IUPAC name of [(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid (CID 67144741) is [(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid.
What is the SMILES notation for [(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid?
The canonical SMILES for [(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid is N[C@@H]1[C@H](NC(=O)O)CCCC1(F)F.
What is the InChIKey of [(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid?
The InChIKey is BYCGIJFELHGRLQ-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c8-7(9)3-1-2-4(5(7)10)11-6(12)13/h4-5,11H,1-3,10H2,(H,12,13)/t4-,5-/m1/s1.
What are the key properties of [(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid?
[(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid has a molecular weight of 194.18 g/mol, XLogP of 0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid is sourced from PubChem (CID 67144741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).