(3-fluorophenyl)-propan-2-ylcarbamic acid

C10H12FNO2 — CID 57350235

IUPAC(3-fluorophenyl)-propan-2-ylcarbamic acid
SMILESCC(C)N(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C10H12FNO2/c1-7(2)12(10(13)14)9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,13,14)
InChIKeyJBPPKPFPWRKDQY-UHFFFAOYSA-N
MW197.21 g/mol
LogP2.72
Rot. Bonds2

About (3-fluorophenyl)-propan-2-ylcarbamic acid

(3-fluorophenyl)-propan-2-ylcarbamic acid (PubChem CID 57350235) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is (3-fluorophenyl)-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name(3-fluorophenyl)-propan-2-ylcarbamic acid
PubChem CID57350235
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name(3-fluorophenyl)-propan-2-ylcarbamic acid
SMILESCC(C)N(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C10H12FNO2/c1-7(2)12(10(13)14)9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,13,14)
InChIKeyJBPPKPFPWRKDQY-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 24820151
N-chloroaniline;(3-chlorophenyl)-propan-2-ylcarbamic acid
CID 175962918
3-[3-fluoro-N-(2-methylpropyl)anilino]-2-methylpropanoic acid
CID 82319342
N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide
CID 107027780
(4-phenylphenyl)-propan-2-ylcarbamic acid
CID 118254837
3-[3-fluoro-N-(2-methylpropyl)anilino]propanoic acid
CID 82319254
(3-fluorophenoxy)-propan-2-ylcarbamic acid
CID 87543419
[3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid
CID 175210839
[3-[bis(2-chloropropan-2-yl)carbamoyloxy]phenyl]-propan-2-ylcarbamic acid
CID 70584966
2-[N-(2-carboxyethyl)-3-fluoroanilino]propanoic acid
CID 82317163
3-[3-fluoro-N-(3-methylbutyl)anilino]propanoic acid
CID 82319115
[3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
CID 57100117

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-propan-2-ylcarbamic acid?
The IUPAC name of (3-fluorophenyl)-propan-2-ylcarbamic acid (CID 57350235) is (3-fluorophenyl)-propan-2-ylcarbamic acid.
What is the SMILES notation for (3-fluorophenyl)-propan-2-ylcarbamic acid?
The canonical SMILES for (3-fluorophenyl)-propan-2-ylcarbamic acid is CC(C)N(C(=O)O)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-propan-2-ylcarbamic acid?
The InChIKey is JBPPKPFPWRKDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-7(2)12(10(13)14)9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,13,14).
What are the key properties of (3-fluorophenyl)-propan-2-ylcarbamic acid?
(3-fluorophenyl)-propan-2-ylcarbamic acid has a molecular weight of 197.21 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-propan-2-ylcarbamic acid is sourced from PubChem (CID 57350235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).