azane;1-fluoro-4-(1-methylcyclopentyl)benzene

C12H18FN — CID 174449315

IUPACazane;1-fluoro-4-(1-methylcyclopentyl)benzene
SMILESCC1(c2ccc(F)cc2)CCCC1.N
InChIInChI=1S/C12H15F.H3N/c1-12(8-2-3-9-12)10-4-6-11(13)7-5-10;/h4-7H,2-3,8-9H2,1H3;1H3
InChIKeyJSDBLYMJDILVEX-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.82
Rot. Bonds1

About azane;1-fluoro-4-(1-methylcyclopentyl)benzene

azane;1-fluoro-4-(1-methylcyclopentyl)benzene (PubChem CID 174449315) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is azane;1-fluoro-4-(1-methylcyclopentyl)benzene.

Molecular Properties

Compound Nameazane;1-fluoro-4-(1-methylcyclopentyl)benzene
PubChem CID174449315
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Nameazane;1-fluoro-4-(1-methylcyclopentyl)benzene
SMILESCC1(c2ccc(F)cc2)CCCC1.N
InChIInChI=1S/C12H15F.H3N/c1-12(8-2-3-9-12)10-4-6-11(13)7-5-10;/h4-7H,2-3,8-9H2,1H3;1H3
InChIKeyJSDBLYMJDILVEX-UHFFFAOYSA-N
XLogP3.82
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze azane;1-fluoro-4-(1-methylcyclopentyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-Butylbenzene
CID 7366
4-tert-Butyltoluene
CID 7390
1,4-Di-tert-butylbenzene
CID 13895
tert-Amylbenzene
CID 16295
4-tert-Butylstyrene
CID 15627
Dimethyldiphenylmethane
CID 13065
5-Tert-butyl-m-xylene
CID 7378
Cuparene
CID 86895
1,3-Di-tert-butylbenzene
CID 136810
3-Fluoro-o-xylene
CID 96489
2-Phenylpentane
CID 17627
3-tert-Butyl-5-ethyltoluene
CID 23114

Frequently Asked Questions

What is the IUPAC name of azane;1-fluoro-4-(1-methylcyclopentyl)benzene?
The IUPAC name of azane;1-fluoro-4-(1-methylcyclopentyl)benzene (CID 174449315) is azane;1-fluoro-4-(1-methylcyclopentyl)benzene.
What is the SMILES notation for azane;1-fluoro-4-(1-methylcyclopentyl)benzene?
The canonical SMILES for azane;1-fluoro-4-(1-methylcyclopentyl)benzene is CC1(c2ccc(F)cc2)CCCC1.N.
What is the InChIKey of azane;1-fluoro-4-(1-methylcyclopentyl)benzene?
The InChIKey is JSDBLYMJDILVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F.H3N/c1-12(8-2-3-9-12)10-4-6-11(13)7-5-10;/h4-7H,2-3,8-9H2,1H3;1H3.
What are the key properties of azane;1-fluoro-4-(1-methylcyclopentyl)benzene?
azane;1-fluoro-4-(1-methylcyclopentyl)benzene has a molecular weight of 195.28 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-fluoro-4-(1-methylcyclopentyl)benzene is sourced from PubChem (CID 174449315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).