N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine

C14H17F4N — CID 63453853

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine
SMILESFc1ccc(NC2CCCCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H17F4N/c15-13-8-7-11(9-12(13)14(16,17)18)19-10-5-3-1-2-4-6-10/h7-10,19H,1-6H2
InChIKeyNBDZMRZXDQCUNW-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.98
Rot. Bonds2

About N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine

N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine (PubChem CID 63453853) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine
PubChem CID63453853
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine
SMILESFc1ccc(NC2CCCCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H17F4N/c15-13-8-7-11(9-12(13)14(16,17)18)19-10-5-3-1-2-4-6-10/h7-10,19H,1-6H2
InChIKeyNBDZMRZXDQCUNW-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine
CID 63455762
1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
CID 79458677
4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 107448399
4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid
CID 62711963
4-[4-fluoro-3-(trifluoromethyl)anilino]azepan-2-one
CID 63905394
4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline
CID 103561769
3-chloro-N-cyclopentyl-4-fluoroaniline
CID 28938400
1-N-cyclopentyl-4-fluorobenzene-1,3-diamine
CID 82933776
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
4-chloro-N-cyclopentyl-3-fluoroaniline
CID 43721398
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853733

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine (CID 63453853) is N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine is Fc1ccc(NC2CCCCCC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine?
The InChIKey is NBDZMRZXDQCUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c15-13-8-7-11(9-12(13)14(16,17)18)19-10-5-3-1-2-4-6-10/h7-10,19H,1-6H2.
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine?
N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine has a molecular weight of 275.29 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine is sourced from PubChem (CID 63453853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).