1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine

C14H19ClFNO — CID 107993675

IUPAC1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESNC(CCCC1CCCO1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFNO/c15-12-7-6-10(9-13(12)16)14(17)5-1-3-11-4-2-8-18-11/h6-7,9,11,14H,1-5,8,17H2
InChIKeyZUNFMSUTHXXMBS-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.83
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine

1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 107993675) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID107993675
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESNC(CCCC1CCCO1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFNO/c15-12-7-6-10(9-13(12)16)14(17)5-1-3-11-4-2-8-18-11/h6-7,9,11,14H,1-5,8,17H2
InChIKeyZUNFMSUTHXXMBS-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161658
4-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65164140
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161657
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine
CID 107291454
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177
1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine
CID 104993455
1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine
CID 66141385
1-(3-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167485
1-(3,4-dichlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 81492098
1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
CID 103693328

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine (CID 107993675) is 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine is NC(CCCC1CCCO1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is ZUNFMSUTHXXMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c15-12-7-6-10(9-13(12)16)14(17)5-1-3-11-4-2-8-18-11/h6-7,9,11,14H,1-5,8,17H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine?
1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 271.76 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 107993675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).