[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid

C7H12FNO3 — CID 134247577

IUPAC[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid
SMILESO=C(O)N[C@H]1C[C@H](O)CC[C@@H]1F
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)/t4-,5+,6+/m1/s1
InChIKeyONLLAAUVDGTFBM-SRQIZXRXSA-N
MW177.17 g/mol
LogP0.51
Rot. Bonds1

About [(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid

[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid (PubChem CID 134247577) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is [(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid
PubChem CID134247577
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid
SMILESO=C(O)N[C@H]1C[C@H](O)CC[C@@H]1F
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)/t4-,5+,6+/m1/s1
InChIKeyONLLAAUVDGTFBM-SRQIZXRXSA-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
(2-Fluoro-5-hydroxycyclohexyl)carbamic acid
CID 134247694
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 [(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid?
The IUPAC name of [(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid (CID 134247577) is [(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid.
What is the SMILES notation for [(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid?
The canonical SMILES for [(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid is O=C(O)N[C@H]1C[C@H](O)CC[C@@H]1F.
What is the InChIKey of [(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid?
The InChIKey is ONLLAAUVDGTFBM-SRQIZXRXSA-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)/t4-,5+,6+/m1/s1.
What are the key properties of [(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid?
[(1S,2S,5R)-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 [(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid is sourced from PubChem (CID 134247577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).