1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine

C15H15ClF3NO — CID 170889110

IUPAC1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine
SMILESCCC(N)Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C15H15ClF3NO/c1-2-10(20)8-11-4-6-14(21-11)12-7-9(15(17,18)19)3-5-13(12)16/h3-7,10H,2,8,20H2,1H3
InChIKeyMATJRCXURDEOJT-UHFFFAOYSA-N
MW317.74 g/mol
LogP4.90
Rot. Bonds4

About 1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine

1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine (PubChem CID 170889110) has the molecular formula C15H15ClF3NO and a molecular weight of 317.74 g/mol. Its IUPAC name is 1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine
PubChem CID170889110
Molecular FormulaC15H15ClF3NO
Molecular Weight317.74 g/mol
Exact Mass317.08
IUPAC Name1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine
SMILESCCC(N)Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C15H15ClF3NO/c1-2-10(20)8-11-4-6-14(21-11)12-7-9(15(17,18)19)3-5-13(12)16/h3-7,10H,2,8,20H2,1H3
InChIKeyMATJRCXURDEOJT-UHFFFAOYSA-N
XLogP4.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine
CID 170889125
ethyl 2-amino-3-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propanoate
CID 170884863
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride
CID 170889105
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine
CID 170889123
3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882247
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 623670
4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]butane-1,3-diamine
CID 140508777
1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one
CID 63668636
(NZ)-N-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydroxylamine
CID 28689333
N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 66476989
1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine
CID 63085980
(5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758778

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine?
The IUPAC name of 1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine (CID 170889110) is 1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine.
What is the SMILES notation for 1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine?
The canonical SMILES for 1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine is CCC(N)Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1.
What is the InChIKey of 1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine?
The InChIKey is MATJRCXURDEOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3NO/c1-2-10(20)8-11-4-6-14(21-11)12-7-9(15(17,18)19)3-5-13(12)16/h3-7,10H,2,8,20H2,1H3.
What are the key properties of 1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine?
1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine has a molecular weight of 317.74 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine is sourced from PubChem (CID 170889110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).