[(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid

C7H11F2NO3 — CID 68777702

IUPAC[(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCC(F)(F)C1O
InChIInChI=1S/C7H11F2NO3/c8-7(9)3-1-2-4(5(7)11)10-6(12)13/h4-5,10-11H,1-3H2,(H,12,13)/t4-,5?/m1/s1
InChIKeyITVINZJNISFWNT-CNZKWPKMSA-N
MW195.16 g/mol
LogP0.80
Rot. Bonds1

About [(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid

[(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid (PubChem CID 68777702) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is [(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid
PubChem CID68777702
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name[(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCC(F)(F)C1O
InChIInChI=1S/C7H11F2NO3/c8-7(9)3-1-2-4(5(7)11)10-6(12)13/h4-5,10-11H,1-3H2,(H,12,13)/t4-,5?/m1/s1
InChIKeyITVINZJNISFWNT-CNZKWPKMSA-N
XLogP0.80
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid?
The IUPAC name of [(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid (CID 68777702) is [(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid.
What is the SMILES notation for [(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid?
The canonical SMILES for [(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid is O=C(O)N[C@@H]1CCCC(F)(F)C1O.
What is the InChIKey of [(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid?
The InChIKey is ITVINZJNISFWNT-CNZKWPKMSA-N. The full InChI is InChI=1S/C7H11F2NO3/c8-7(9)3-1-2-4(5(7)11)10-6(12)13/h4-5,10-11H,1-3H2,(H,12,13)/t4-,5?/m1/s1.
What are the key properties of [(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid?
[(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid has a molecular weight of 195.16 g/mol, XLogP of 0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid is sourced from PubChem (CID 68777702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).