3-[(4-fluoroanilino)methyl]cyclobutan-1-ol

C11H14FNO — CID 126794071

IUPAC3-[(4-fluoroanilino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNc2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO/c12-9-1-3-10(4-2-9)13-7-8-5-11(14)6-8/h1-4,8,11,13-14H,5-7H2
InChIKeyLWJXRLUTPZKYFL-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.01
Rot. Bonds3

About 3-[(4-fluoroanilino)methyl]cyclobutan-1-ol

3-[(4-fluoroanilino)methyl]cyclobutan-1-ol (PubChem CID 126794071) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-[(4-fluoroanilino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(4-fluoroanilino)methyl]cyclobutan-1-ol
PubChem CID126794071
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-[(4-fluoroanilino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNc2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO/c12-9-1-3-10(4-2-9)13-7-8-5-11(14)6-8/h1-4,8,11,13-14H,5-7H2
InChIKeyLWJXRLUTPZKYFL-UHFFFAOYSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azetidin-3-ylmethyl)-4-fluoroaniline
CID 84657410
3-[(4-ethylsulfonylanilino)methyl]cyclobutan-1-ol
CID 66006142
5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 115487752
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006045
3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 106129728
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
2-bromo-4-[(3-hydroxycyclobutyl)methylamino]benzoic acid
CID 107282162
3-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 112675958
4-[(3-hydroxycyclobutyl)methylamino]-1H-pyridazin-6-one
CID 114392313
3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol
CID 103269700
3-[[(4-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270748
2-[2-amino-5-[(3-hydroxycyclobutyl)methylamino]phenyl]acetonitrile
CID 102624464

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoroanilino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(4-fluoroanilino)methyl]cyclobutan-1-ol (CID 126794071) is 3-[(4-fluoroanilino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(4-fluoroanilino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(4-fluoroanilino)methyl]cyclobutan-1-ol is OC1CC(CNc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluoroanilino)methyl]cyclobutan-1-ol?
The InChIKey is LWJXRLUTPZKYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-9-1-3-10(4-2-9)13-7-8-5-11(14)6-8/h1-4,8,11,13-14H,5-7H2.
What are the key properties of 3-[(4-fluoroanilino)methyl]cyclobutan-1-ol?
3-[(4-fluoroanilino)methyl]cyclobutan-1-ol has a molecular weight of 195.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoroanilino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 126794071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).