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

C8H12F2N2O4 — CID 67238174

IUPAC[(1R,2R)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid
SMILESO=C(O)N[C@@H]1[C@H](NC(=O)O)CCCC1(F)F
InChIInChI=1S/C8H12F2N2O4/c9-8(10)3-1-2-4(11-6(13)14)5(8)12-7(15)16/h4-5,11-12H,1-3H2,(H,13,14)(H,15,16)/t4-,5-/m1/s1
InChIKeyKHKNUXLCTZGSPK-RFZPGFLSSA-N
MW238.19 g/mol
LogP1.08
Rot. Bonds2

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

[(1R,2R)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid (PubChem CID 67238174) has the molecular formula C8H12F2N2O4 and a molecular weight of 238.19 g/mol. Its IUPAC name is [(1R,2R)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid
PubChem CID67238174
Molecular FormulaC8H12F2N2O4
Molecular Weight238.19 g/mol
Exact Mass238.08
IUPAC Name[(1R,2R)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid
SMILESO=C(O)N[C@@H]1[C@H](NC(=O)O)CCCC1(F)F
InChIInChI=1S/C8H12F2N2O4/c9-8(10)3-1-2-4(11-6(13)14)5(8)12-7(15)16/h4-5,11-12H,1-3H2,(H,13,14)(H,15,16)/t4-,5-/m1/s1
InChIKeyKHKNUXLCTZGSPK-RFZPGFLSSA-N
XLogP1.08
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-2-amino-3,3-difluorocyclohexyl]carbamic acid
CID 67144741
[(1S,2S)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid
CID 67238173
[(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
(3,3-Difluorocyclohexyl)carbamic acid
CID 89897530
(2,2-Difluorocyclohexyl)carbamic acid
CID 89897811

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid?
The IUPAC name of [(1R,2R)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid (CID 67238174) is [(1R,2R)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid.
What is the SMILES notation for [(1R,2R)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid?
The canonical SMILES for [(1R,2R)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid is O=C(O)N[C@@H]1[C@H](NC(=O)O)CCCC1(F)F.
What is the InChIKey of [(1R,2R)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid?
The InChIKey is KHKNUXLCTZGSPK-RFZPGFLSSA-N. The full InChI is InChI=1S/C8H12F2N2O4/c9-8(10)3-1-2-4(11-6(13)14)5(8)12-7(15)16/h4-5,11-12H,1-3H2,(H,13,14)(H,15,16)/t4-,5-/m1/s1.
What are the key properties of [(1R,2R)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid?
[(1R,2R)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid has a molecular weight of 238.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(carboxyamino)-3,3-difluorocyclohexyl]carbamic acid is sourced from PubChem (CID 67238174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).