N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline

C10H12F3N — CID 102867861

IUPACN-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline
SMILESCc1ccc(NC(C)C(F)F)cc1F
InChIInChI=1S/C10H12F3N/c1-6-3-4-8(5-9(6)11)14-7(2)10(12)13/h3-5,7,10,14H,1-2H3
InChIKeyNMWODZROPKOKTF-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.20
Rot. Bonds3

About N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline

N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline (PubChem CID 102867861) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline
PubChem CID102867861
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC NameN-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline
SMILESCc1ccc(NC(C)C(F)F)cc1F
InChIInChI=1S/C10H12F3N/c1-6-3-4-8(5-9(6)11)14-7(2)10(12)13/h3-5,7,10,14H,1-2H3
InChIKeyNMWODZROPKOKTF-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline
CID 43098407
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43101633
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoro-4-methylaniline
CID 43100863
3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43764409
N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
CID 43110873
3-fluoro-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534048
2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
CID 60638752
3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670116
(3-fluoro-4-methylphenyl)hydrazine;hydrochloride
CID 44557932
3-fluoro-N-heptan-3-yl-4-methylaniline
CID 63944501
N-(1,1-difluoropropan-2-yl)quinoxalin-6-amine
CID 102869134

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline (CID 102867861) is N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline is Cc1ccc(NC(C)C(F)F)cc1F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline?
The InChIKey is NMWODZROPKOKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6-3-4-8(5-9(6)11)14-7(2)10(12)13/h3-5,7,10,14H,1-2H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline?
N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline has a molecular weight of 203.21 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline is sourced from PubChem (CID 102867861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).