4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine

C11H11F6NO — CID 104992805

IUPAC4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
SMILESNC(CCC(F)(F)F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11F6NO/c12-10(13,14)6-5-9(18)7-1-3-8(4-2-7)19-11(15,16)17/h1-4,9H,5-6,18H2
InChIKeyMCUJUKIKVLNGNT-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.93
Rot. Bonds4

About 4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine

4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine (PubChem CID 104992805) has the molecular formula C11H11F6NO and a molecular weight of 287.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
PubChem CID104992805
Molecular FormulaC11H11F6NO
Molecular Weight287.20 g/mol
Exact Mass287.07
IUPAC Name4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
SMILESNC(CCC(F)(F)F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11F6NO/c12-10(13,14)6-5-9(18)7-1-3-8(4-2-7)19-11(15,16)17/h1-4,9H,5-6,18H2
InChIKeyMCUJUKIKVLNGNT-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 171207695
(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171227277
(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103693878
(1S)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171227274
(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 171210773
(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
CID 171207711
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171313749
(1S)-1-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine;hydrochloride
CID 171227266
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine
CID 171230780
2-[(1R)-1-amino-4,4,4-trifluorobutyl]-4-(trifluoromethoxy)phenol
CID 171210135
methyl 5-amino-5-[4-(trifluoromethoxy)phenyl]pentanoate
CID 60861488

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine (CID 104992805) is 4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine is NC(CCC(F)(F)F)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine?
The InChIKey is MCUJUKIKVLNGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO/c12-10(13,14)6-5-9(18)7-1-3-8(4-2-7)19-11(15,16)17/h1-4,9H,5-6,18H2.
What are the key properties of 4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine?
4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine has a molecular weight of 287.20 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine is sourced from PubChem (CID 104992805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).