(4-fluoro-3-hydroxyphenyl)methylcarbamic acid

C8H8FNO3 — CID 68728190

IUPAC(4-fluoro-3-hydroxyphenyl)methylcarbamic acid
SMILESO=C(O)NCc1ccc(F)c(O)c1
InChIInChI=1S/C8H8FNO3/c9-6-2-1-5(3-7(6)11)4-10-8(12)13/h1-3,10-11H,4H2,(H,12,13)
InChIKeyRCOOCMBCNJTPAX-UHFFFAOYSA-N
MW185.15 g/mol
LogP1.30
Rot. Bonds2

About (4-fluoro-3-hydroxyphenyl)methylcarbamic acid

(4-fluoro-3-hydroxyphenyl)methylcarbamic acid (PubChem CID 68728190) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is (4-fluoro-3-hydroxyphenyl)methylcarbamic acid.

Molecular Properties

Compound Name(4-fluoro-3-hydroxyphenyl)methylcarbamic acid
PubChem CID68728190
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name(4-fluoro-3-hydroxyphenyl)methylcarbamic acid
SMILESO=C(O)NCc1ccc(F)c(O)c1
InChIInChI=1S/C8H8FNO3/c9-6-2-1-5(3-7(6)11)4-10-8(12)13/h1-3,10-11H,4H2,(H,12,13)
InChIKeyRCOOCMBCNJTPAX-UHFFFAOYSA-N
XLogP1.30
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
3-[(3,4-difluorophenyl)methyl]-1,1-diethylurea
CID 115593148
2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]butanoic acid
CID 115185958
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide
CID 166415827
ethyl 3-[(3,4-difluorophenyl)methylamino]-3-oxopropanoate
CID 110474199
N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
CID 110781029
1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 65465374
5-[(cyclobutylamino)methyl]-2-fluorophenol
CID 117221540
5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
5-(aminomethyl)-2-fluorophenol;hydrobromide
CID 68744209
N-[(3-bromo-4-fluorophenyl)methyl]propanamide
CID 91448069

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-hydroxyphenyl)methylcarbamic acid?
The IUPAC name of (4-fluoro-3-hydroxyphenyl)methylcarbamic acid (CID 68728190) is (4-fluoro-3-hydroxyphenyl)methylcarbamic acid.
What is the SMILES notation for (4-fluoro-3-hydroxyphenyl)methylcarbamic acid?
The canonical SMILES for (4-fluoro-3-hydroxyphenyl)methylcarbamic acid is O=C(O)NCc1ccc(F)c(O)c1.
What is the InChIKey of (4-fluoro-3-hydroxyphenyl)methylcarbamic acid?
The InChIKey is RCOOCMBCNJTPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c9-6-2-1-5(3-7(6)11)4-10-8(12)13/h1-3,10-11H,4H2,(H,12,13).
What are the key properties of (4-fluoro-3-hydroxyphenyl)methylcarbamic acid?
(4-fluoro-3-hydroxyphenyl)methylcarbamic acid has a molecular weight of 185.15 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-hydroxyphenyl)methylcarbamic acid is sourced from PubChem (CID 68728190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).