N-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline

C13H14F5NO — CID 177312690

IUPACN-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline
SMILESFC1(F)CCC(Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C13H14F5NO/c14-12(15)7-5-10(6-8-12)19-9-1-3-11(4-2-9)20-13(16,17)18/h1-4,10,19H,5-8H2
InChIKeyUINPTYCCXLSOFW-UHFFFAOYSA-N
MW295.25 g/mol
LogP4.57
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline

N-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline (PubChem CID 177312690) has the molecular formula C13H14F5NO and a molecular weight of 295.25 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline
PubChem CID177312690
Molecular FormulaC13H14F5NO
Molecular Weight295.25 g/mol
Exact Mass295.10
IUPAC NameN-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline
SMILESFC1(F)CCC(Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C13H14F5NO/c14-12(15)7-5-10(6-8-12)19-9-1-3-11(4-2-9)20-13(16,17)18/h1-4,10,19H,5-8H2
InChIKeyUINPTYCCXLSOFW-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-propan-2-ylcyclohexyl)-4-(trifluoromethoxy)aniline
CID 63422574
N-[4-(trifluoromethoxy)phenyl]thian-4-amine
CID 43511277
N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline
CID 64593461
1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]thian-3-amine
CID 63909870
trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol
CID 102732976
7,7-dimethyl-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872042
N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline
CID 65046957
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
N-(4,4-difluorocyclohexyl)-3-methoxyaniline
CID 171662901
2-[(3,3-difluorocyclopentyl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 120665920
ethane;N-methyl-4-(trifluoromethoxy)aniline
CID 143206092
2-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]pyrimidine-5-carbaldehyde
CID 121404793

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline?
The IUPAC name of N-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline (CID 177312690) is N-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline is FC1(F)CCC(Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline?
The InChIKey is UINPTYCCXLSOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5NO/c14-12(15)7-5-10(6-8-12)19-9-1-3-11(4-2-9)20-13(16,17)18/h1-4,10,19H,5-8H2.
What are the key properties of N-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline?
N-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline has a molecular weight of 295.25 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 177312690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).