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

C7H12F2N2O2 — CID 175009691

IUPAC[(1R,2R)-2-amino-3,3-difluorocyclohexyl] carbamate
SMILESNC(=O)O[C@@H]1CCCC(F)(F)[C@@H]1N
InChIInChI=1S/C7H12F2N2O2/c8-7(9)3-1-2-4(5(7)10)13-6(11)12/h4-5H,1-3,10H2,(H2,11,12)/t4-,5-/m1/s1
InChIKeyFAGHWOPNZCRIJV-RFZPGFLSSA-N
MW194.18 g/mol
LogP0.60
Rot. Bonds1

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

[(1R,2R)-2-amino-3,3-difluorocyclohexyl] carbamate (PubChem CID 175009691) 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] carbamate.

Molecular Properties

Compound Name[(1R,2R)-2-amino-3,3-difluorocyclohexyl] carbamate
PubChem CID175009691
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name[(1R,2R)-2-amino-3,3-difluorocyclohexyl] carbamate
SMILESNC(=O)O[C@@H]1CCCC(F)(F)[C@@H]1N
InChIInChI=1S/C7H12F2N2O2/c8-7(9)3-1-2-4(5(7)10)13-6(11)12/h4-5H,1-3,10H2,(H2,11,12)/t4-,5-/m1/s1
InChIKeyFAGHWOPNZCRIJV-RFZPGFLSSA-N
XLogP0.60
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate
CID 90837067
[(1R,2S)-2-amino-3,3-difluorocyclohexyl] carbamate
CID 175007115
[(1S,6R)-6-amino-2,2-difluorocyclohexyl] carbamate
CID 175008568
[(1S,2R)-2-amino-5,5-difluorocyclohexyl] carbamate
CID 175009016
[(1R,3S,4R)-4-amino-3-fluorocyclohexyl] carbamate
CID 175048260
(4-Amino-2-fluorocyclohexyl) carbamate
CID 175166569
(2-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate
CID 116013723
[2-Amino-4-(trifluoromethyl)cyclohexyl] carbamate
CID 150703297
(2-Aminocyclohexyl) carbamate
CID 104286533
[(1R,2S)-2-aminocyclohexyl] carbamate
CID 121410285
[(2S)-2-aminocyclohexyl] carbamate
CID 137496410
[5-Iodo-2-(iodoamino)cyclohexyl] carbamate
CID 143875558

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-amino-3,3-difluorocyclohexyl] carbamate?
The IUPAC name of [(1R,2R)-2-amino-3,3-difluorocyclohexyl] carbamate (CID 175009691) is [(1R,2R)-2-amino-3,3-difluorocyclohexyl] carbamate.
What is the SMILES notation for [(1R,2R)-2-amino-3,3-difluorocyclohexyl] carbamate?
The canonical SMILES for [(1R,2R)-2-amino-3,3-difluorocyclohexyl] carbamate is NC(=O)O[C@@H]1CCCC(F)(F)[C@@H]1N.
What is the InChIKey of [(1R,2R)-2-amino-3,3-difluorocyclohexyl] carbamate?
The InChIKey is FAGHWOPNZCRIJV-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c8-7(9)3-1-2-4(5(7)10)13-6(11)12/h4-5H,1-3,10H2,(H2,11,12)/t4-,5-/m1/s1.
What are the key properties of [(1R,2R)-2-amino-3,3-difluorocyclohexyl] carbamate?
[(1R,2R)-2-amino-3,3-difluorocyclohexyl] carbamate has a molecular weight of 194.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-amino-3,3-difluorocyclohexyl] carbamate is sourced from PubChem (CID 175009691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).