(1-fluoro-5-hydroxypentan-2-yl)carbamic acid

C6H12FNO3 — CID 54445317

IUPAC(1-fluoro-5-hydroxypentan-2-yl)carbamic acid
SMILESO=C(O)NC(CF)CCCO
InChIInChI=1S/C6H12FNO3/c7-4-5(2-1-3-9)8-6(10)11/h5,8-9H,1-4H2,(H,10,11)
InChIKeyWRBRRMIBHIMYTC-UHFFFAOYSA-N
MW165.16 g/mol
LogP0.36
Rot. Bonds5

About (1-fluoro-5-hydroxypentan-2-yl)carbamic acid

(1-fluoro-5-hydroxypentan-2-yl)carbamic acid (PubChem CID 54445317) has the molecular formula C6H12FNO3 and a molecular weight of 165.16 g/mol. Its IUPAC name is (1-fluoro-5-hydroxypentan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-fluoro-5-hydroxypentan-2-yl)carbamic acid
PubChem CID54445317
Molecular FormulaC6H12FNO3
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(1-fluoro-5-hydroxypentan-2-yl)carbamic acid
SMILESO=C(O)NC(CF)CCCO
InChIInChI=1S/C6H12FNO3/c7-4-5(2-1-3-9)8-6(10)11/h5,8-9H,1-4H2,(H,10,11)
InChIKeyWRBRRMIBHIMYTC-UHFFFAOYSA-N
XLogP0.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-5-hydroxypentan-2-yl)carbamic acid?
The IUPAC name of (1-fluoro-5-hydroxypentan-2-yl)carbamic acid (CID 54445317) is (1-fluoro-5-hydroxypentan-2-yl)carbamic acid.
What is the SMILES notation for (1-fluoro-5-hydroxypentan-2-yl)carbamic acid?
The canonical SMILES for (1-fluoro-5-hydroxypentan-2-yl)carbamic acid is O=C(O)NC(CF)CCCO.
What is the InChIKey of (1-fluoro-5-hydroxypentan-2-yl)carbamic acid?
The InChIKey is WRBRRMIBHIMYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO3/c7-4-5(2-1-3-9)8-6(10)11/h5,8-9H,1-4H2,(H,10,11).
What are the key properties of (1-fluoro-5-hydroxypentan-2-yl)carbamic acid?
(1-fluoro-5-hydroxypentan-2-yl)carbamic acid has a molecular weight of 165.16 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-5-hydroxypentan-2-yl)carbamic acid is sourced from PubChem (CID 54445317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).