(2-fluoro-5-hydroxycyclohexyl)carbamic acid

C7H12FNO3 — CID 134247694

IUPAC(2-fluoro-5-hydroxycyclohexyl)carbamic acid
SMILESO=C(O)NC1CC(O)CCC1F
InChIInChI=1S/C7H12FNO3/c8-5-2-1-4(10)3-6(5)9-7(11)12/h4-6,9-10H,1-3H2,(H,11,12)
InChIKeyONLLAAUVDGTFBM-UHFFFAOYSA-N
MW177.17 g/mol
LogP0.51
Rot. Bonds1

About (2-fluoro-5-hydroxycyclohexyl)carbamic acid

(2-fluoro-5-hydroxycyclohexyl)carbamic acid (PubChem CID 134247694) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is (2-fluoro-5-hydroxycyclohexyl)carbamic acid.

Molecular Properties

Compound Name(2-fluoro-5-hydroxycyclohexyl)carbamic acid
PubChem CID134247694
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(2-fluoro-5-hydroxycyclohexyl)carbamic acid
SMILESO=C(O)NC1CC(O)CCC1F
InChIInChI=1S/C7H12FNO3/c8-5-2-1-4(10)3-6(5)9-7(11)12/h4-6,9-10H,1-3H2,(H,11,12)
InChIKeyONLLAAUVDGTFBM-UHFFFAOYSA-N
XLogP0.51
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl (3-hydroxycyclohexyl)carbamate
CID 21925254
tert-butyl N-[(1S,3R)-3-hydroxycyclohexyl]carbamate
CID 29949041
Carbamic acid, N-[(1R,3S)-3-hydroxycyclohexyl]-, 1,1-dimethylethyl ester
CID 29949044
t-Butyl ((1S,3S)-3-hydroxycyclohexyl)carbamate
CID 29949049
(2-Fluoro-4-hydroxycyclohexyl)carbamic acid
CID 117688355
[(1R,2S,4S)-2-fluoro-4-hydroxycyclohexyl]carbamic acid
CID 117688356
[(1S,2S,4R)-2-fluoro-4-hydroxycyclohexyl]carbamic acid
CID 117688425
2,2,2-trifluoro-N-[(3S)-3-hydroxycyclohexyl]acetamide
CID 132175271
[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid
CID 134247577
tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate
CID 134253028
[(1R,3S,4S)-3-fluoro-4-hydroxycyclohexyl]carbamic acid
CID 138628964
[(1R,3S,4R)-3-fluoro-4-hydroxycyclohexyl]carbamic acid
CID 138629004

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-hydroxycyclohexyl)carbamic acid?
The IUPAC name of (2-fluoro-5-hydroxycyclohexyl)carbamic acid (CID 134247694) is (2-fluoro-5-hydroxycyclohexyl)carbamic acid.
What is the SMILES notation for (2-fluoro-5-hydroxycyclohexyl)carbamic acid?
The canonical SMILES for (2-fluoro-5-hydroxycyclohexyl)carbamic acid is O=C(O)NC1CC(O)CCC1F.
What is the InChIKey of (2-fluoro-5-hydroxycyclohexyl)carbamic acid?
The InChIKey is ONLLAAUVDGTFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3/c8-5-2-1-4(10)3-6(5)9-7(11)12/h4-6,9-10H,1-3H2,(H,11,12).
What are the key properties of (2-fluoro-5-hydroxycyclohexyl)carbamic acid?
(2-fluoro-5-hydroxycyclohexyl)carbamic acid has a molecular weight of 177.17 g/mol, XLogP of 0.51, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-hydroxycyclohexyl)carbamic acid is sourced from PubChem (CID 134247694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).