N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline

C14H17F4N — CID 107303636

IUPACN-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline
SMILESCC1(C)CCCC1Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C14H17F4N/c1-13(2)7-3-4-12(13)19-11-6-5-9(8-10(11)15)14(16,17)18/h5-6,8,12,19H,3-4,7H2,1-2H3
InChIKeySBBGHTVLPCKECP-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.84
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline

N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline (PubChem CID 107303636) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline
PubChem CID107303636
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC NameN-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline
SMILESCC1(C)CCCC1Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C14H17F4N/c1-13(2)7-3-4-12(13)19-11-6-5-9(8-10(11)15)14(16,17)18/h5-6,8,12,19H,3-4,7H2,1-2H3
InChIKeySBBGHTVLPCKECP-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107303637
2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid
CID 79870871
4-[(2,2-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 79873059
N-(2,2-dimethylcyclopentyl)-4-fluoro-2-methylaniline
CID 79864742
N-(2,2-dimethylcyclohexyl)-2-fluoroaniline
CID 79828760
4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
CID 107303820
4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline
CID 79864654
2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 103702887
5-bromo-N-(2,2-dimethylcyclohexyl)-2,4-difluoroaniline
CID 102853156
N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 79870374
2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline
CID 107527334
N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine
CID 107303866

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline (CID 107303636) is N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline is CC1(C)CCCC1Nc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline?
The InChIKey is SBBGHTVLPCKECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-13(2)7-3-4-12(13)19-11-6-5-9(8-10(11)15)14(16,17)18/h5-6,8,12,19H,3-4,7H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline?
N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline has a molecular weight of 275.29 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 107303636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).