6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine

C15H21F4N — CID 115516510

IUPAC6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)Cc1ccccc1F
InChIInChI=1S/C15H21F4N/c1-2-10-20-13(7-5-9-15(17,18)19)11-12-6-3-4-8-14(12)16/h3-4,6,8,13,20H,2,5,7,9-11H2,1H3
InChIKeyUEEGNTCBWLGIAF-UHFFFAOYSA-N
MW291.33 g/mol
LogP4.47
Rot. Bonds8

About 6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine

6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine (PubChem CID 115516510) has the molecular formula C15H21F4N and a molecular weight of 291.33 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
PubChem CID115516510
Molecular FormulaC15H21F4N
Molecular Weight291.33 g/mol
Exact Mass291.16
IUPAC Name6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)Cc1ccccc1F
InChIInChI=1S/C15H21F4N/c1-2-10-20-13(7-5-9-15(17,18)19)11-12-6-3-4-8-14(12)16/h3-4,6,8,13,20H,2,5,7,9-11H2,1H3
InChIKeyUEEGNTCBWLGIAF-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516838
1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 61066309
1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517335
5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine
CID 115516684
1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 63417230
N-ethyl-1-(2-fluorophenyl)undecan-2-amine
CID 63416880
1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 66466100
6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine
CID 115516541
1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 105024336
1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 62472909
1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine
CID 105090087
1-(2-fluorophenyl)-4-methoxy-N-propylpentan-2-amine
CID 113391483

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine (CID 115516510) is 6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine is CCCNC(CCCC(F)(F)F)Cc1ccccc1F.
What is the InChIKey of 6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine?
The InChIKey is UEEGNTCBWLGIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4N/c1-2-10-20-13(7-5-9-15(17,18)19)11-12-6-3-4-8-14(12)16/h3-4,6,8,13,20H,2,5,7,9-11H2,1H3.
What are the key properties of 6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine?
6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine has a molecular weight of 291.33 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine is sourced from PubChem (CID 115516510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).