N-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline

C15H17F4N — CID 107643668

IUPACN-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline
SMILESFc1cc(F)c(F)c(NC2CCCC(C3CC3)C2)c1F
InChIInChI=1S/C15H17F4N/c16-11-7-12(17)14(19)15(13(11)18)20-10-3-1-2-9(6-10)8-4-5-8/h7-10,20H,1-6H2
InChIKeyXKZRFKXAJWTMSU-UHFFFAOYSA-N
MW287.30 g/mol
LogP4.62
Rot. Bonds3

About N-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline

N-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline (PubChem CID 107643668) has the molecular formula C15H17F4N and a molecular weight of 287.30 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline
PubChem CID107643668
Molecular FormulaC15H17F4N
Molecular Weight287.30 g/mol
Exact Mass287.13
IUPAC NameN-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline
SMILESFc1cc(F)c(F)c(NC2CCCC(C3CC3)C2)c1F
InChIInChI=1S/C15H17F4N/c16-11-7-12(17)14(19)15(13(11)18)20-10-3-1-2-9(6-10)8-4-5-8/h7-10,20H,1-6H2
InChIKeyXKZRFKXAJWTMSU-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,3,5,6-tetrafluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 107643806
2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline
CID 83082038
N-(2,3,5,6-tetrafluorophenyl)oxepan-4-amine
CID 107644116
N-(2,3,5,6-tetrafluorophenyl)thian-3-amine
CID 107643661
N-(3-cyclopropylcyclohexyl)-2-fluoroaniline
CID 64595816
4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline
CID 64594863
N-(2-chloro-4,6-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 83081402
N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
CID 107643599
4-[(3-cyclopropylcyclohexyl)amino]-3-fluorobenzonitrile
CID 79033558
N-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63425790
methyl 5-[(3-cyclopropylcyclohexyl)amino]-2-fluorobenzoate
CID 64596414
3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline
CID 62810702

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline (CID 107643668) is N-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline is Fc1cc(F)c(F)c(NC2CCCC(C3CC3)C2)c1F.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline?
The InChIKey is XKZRFKXAJWTMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N/c16-11-7-12(17)14(19)15(13(11)18)20-10-3-1-2-9(6-10)8-4-5-8/h7-10,20H,1-6H2.
What are the key properties of N-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline?
N-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline has a molecular weight of 287.30 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 107643668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).