ethane;3-fluoro-3-phenylcyclobutan-1-amine

C14H24FN — CID 178166277

IUPACethane;3-fluoro-3-phenylcyclobutan-1-amine
SMILESCC.CC.NC1CC(F)(c2ccccc2)C1
InChIInChI=1S/C10H12FN.2C2H6/c11-10(6-9(12)7-10)8-4-2-1-3-5-8;2*1-2/h1-5,9H,6-7,12H2;2*1-2H3
InChIKeyWUDMTLNOSMVESQ-UHFFFAOYSA-N
MW225.35 g/mol
LogP4.02
Rot. Bonds1

About ethane;3-fluoro-3-phenylcyclobutan-1-amine

ethane;3-fluoro-3-phenylcyclobutan-1-amine (PubChem CID 178166277) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is ethane;3-fluoro-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound Nameethane;3-fluoro-3-phenylcyclobutan-1-amine
PubChem CID178166277
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Nameethane;3-fluoro-3-phenylcyclobutan-1-amine
SMILESCC.CC.NC1CC(F)(c2ccccc2)C1
InChIInChI=1S/C10H12FN.2C2H6/c11-10(6-9(12)7-10)8-4-2-1-3-5-8;2*1-2/h1-5,9H,6-7,12H2;2*1-2H3
InChIKeyWUDMTLNOSMVESQ-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-fluoro-2-phenylcyclopropan-1-amine
CID 155890824
3-(3,4-dimethylphenyl)-3-fluorocyclobutan-1-amine
CID 112564188
4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol
CID 20692221
3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine
CID 116811436
(1-fluorocyclopentyl)benzene
CID 67593041
3-fluoro-1-methyl-3-phenylazetidine
CID 126996744
1-methyl-2,2-diphenylpiperidin-4-amine
CID 18431540
3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine
CID 112565649
cis-(1R,3R)-3-methyl-3-phenylcyclopentan-1-amine;hydrochloride
CID 173470709
cis-(1R,2S)-2-fluoro-1-phenylcyclopropan-1-amine
CID 11457782
3-fluoro-3-pyridin-3-ylcyclopentan-1-amine
CID 112565744
cyclobutane;1-methyl-2,2-diphenylpiperidin-4-amine
CID 18431539

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-3-phenylcyclobutan-1-amine?
The IUPAC name of ethane;3-fluoro-3-phenylcyclobutan-1-amine (CID 178166277) is ethane;3-fluoro-3-phenylcyclobutan-1-amine.
What is the SMILES notation for ethane;3-fluoro-3-phenylcyclobutan-1-amine?
The canonical SMILES for ethane;3-fluoro-3-phenylcyclobutan-1-amine is CC.CC.NC1CC(F)(c2ccccc2)C1.
What is the InChIKey of ethane;3-fluoro-3-phenylcyclobutan-1-amine?
The InChIKey is WUDMTLNOSMVESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN.2C2H6/c11-10(6-9(12)7-10)8-4-2-1-3-5-8;2*1-2/h1-5,9H,6-7,12H2;2*1-2H3.
What are the key properties of ethane;3-fluoro-3-phenylcyclobutan-1-amine?
ethane;3-fluoro-3-phenylcyclobutan-1-amine has a molecular weight of 225.35 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 178166277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).