4-(1-amino-3-fluorocyclobutyl)phenol

C10H12FNO — CID 105439372

IUPAC4-(1-amino-3-fluorocyclobutyl)phenol
SMILESNC1(c2ccc(O)cc2)CC(F)C1
InChIInChI=1S/C10H12FNO/c11-8-5-10(12,6-8)7-1-3-9(13)4-2-7/h1-4,8,13H,5-6,12H2
InChIKeyYWKOFJUKCDABAG-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.68
Rot. Bonds1

About 4-(1-amino-3-fluorocyclobutyl)phenol

4-(1-amino-3-fluorocyclobutyl)phenol (PubChem CID 105439372) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-(1-amino-3-fluorocyclobutyl)phenol.

Molecular Properties

Compound Name4-(1-amino-3-fluorocyclobutyl)phenol
PubChem CID105439372
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name4-(1-amino-3-fluorocyclobutyl)phenol
SMILESNC1(c2ccc(O)cc2)CC(F)C1
InChIInChI=1S/C10H12FNO/c11-8-5-10(12,6-8)7-1-3-9(13)4-2-7/h1-4,8,13H,5-6,12H2
InChIKeyYWKOFJUKCDABAG-UHFFFAOYSA-N
XLogP1.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-aminocyclopent-3-en-1-yl)phenol
CID 115063014
4-(1-amino-3,3-dimethylcyclobutyl)phenol
CID 115018738
4-[(2R)-2-amino-1-methylcyclopropyl]phenol
CID 105432218
4-(1-amino-2-phenylcyclopropyl)phenol
CID 84689950
(1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol
CID 175286689
4-(2-amino-2-phenylcyclopropyl)phenol
CID 84689947
4-fluoro-1-phenylcyclohexan-1-amine
CID 83853906
4-[1-(difluoromethyl)cyclopropyl]phenol
CID 84718814
4-(1-isocyano-2-methylcyclopropyl)phenol
CID 84766458
1-(4-chlorophenyl)-3,5-dimethylcyclohexan-1-amine
CID 64751648
4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol
CID 2303370
4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride
CID 115038604

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-fluorocyclobutyl)phenol?
The IUPAC name of 4-(1-amino-3-fluorocyclobutyl)phenol (CID 105439372) is 4-(1-amino-3-fluorocyclobutyl)phenol.
What is the SMILES notation for 4-(1-amino-3-fluorocyclobutyl)phenol?
The canonical SMILES for 4-(1-amino-3-fluorocyclobutyl)phenol is NC1(c2ccc(O)cc2)CC(F)C1.
What is the InChIKey of 4-(1-amino-3-fluorocyclobutyl)phenol?
The InChIKey is YWKOFJUKCDABAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-8-5-10(12,6-8)7-1-3-9(13)4-2-7/h1-4,8,13H,5-6,12H2.
What are the key properties of 4-(1-amino-3-fluorocyclobutyl)phenol?
4-(1-amino-3-fluorocyclobutyl)phenol has a molecular weight of 181.21 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3-fluorocyclobutyl)phenol is sourced from PubChem (CID 105439372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).