4-chloro-N-(1,1-difluoropropan-2-yl)aniline

C9H10ClF2N — CID 102867820

IUPAC4-chloro-N-(1,1-difluoropropan-2-yl)aniline
SMILESCC(Nc1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C9H10ClF2N/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6,9,13H,1H3
InChIKeyWZPNTSHBLOEGDO-UHFFFAOYSA-N
MW205.63 g/mol
LogP3.41
Rot. Bonds3

About 4-chloro-N-(1,1-difluoropropan-2-yl)aniline

4-chloro-N-(1,1-difluoropropan-2-yl)aniline (PubChem CID 102867820) has the molecular formula C9H10ClF2N and a molecular weight of 205.63 g/mol. Its IUPAC name is 4-chloro-N-(1,1-difluoropropan-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-N-(1,1-difluoropropan-2-yl)aniline
PubChem CID102867820
Molecular FormulaC9H10ClF2N
Molecular Weight205.63 g/mol
Exact Mass205.05
IUPAC Name4-chloro-N-(1,1-difluoropropan-2-yl)aniline
SMILESCC(Nc1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C9H10ClF2N/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6,9,13H,1H3
InChIKeyWZPNTSHBLOEGDO-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.63
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,1-difluoropropan-2-yl)-4-iodoaniline
CID 102868199
4-chloro-N-propan-2-ylaniline;hydrochloride
CID 18349750
N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline
CID 102867861
N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline
CID 102867799
4-(1,1-difluoropropan-2-ylamino)benzoic acid
CID 102868222
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 102868409
2-chloro-5-(1,1-difluoropropan-2-ylamino)benzonitrile
CID 102868440
N-(1,1-difluoropropan-2-yl)-4-propoxyaniline
CID 102869475
2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile
CID 102868708
4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline
CID 107632154
N-(1,1-difluoropropan-2-yl)-4-(2-methoxyethoxy)aniline
CID 102868863

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,1-difluoropropan-2-yl)aniline?
The IUPAC name of 4-chloro-N-(1,1-difluoropropan-2-yl)aniline (CID 102867820) is 4-chloro-N-(1,1-difluoropropan-2-yl)aniline.
What is the SMILES notation for 4-chloro-N-(1,1-difluoropropan-2-yl)aniline?
The canonical SMILES for 4-chloro-N-(1,1-difluoropropan-2-yl)aniline is CC(Nc1ccc(Cl)cc1)C(F)F.
What is the InChIKey of 4-chloro-N-(1,1-difluoropropan-2-yl)aniline?
The InChIKey is WZPNTSHBLOEGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6,9,13H,1H3.
What are the key properties of 4-chloro-N-(1,1-difluoropropan-2-yl)aniline?
4-chloro-N-(1,1-difluoropropan-2-yl)aniline has a molecular weight of 205.63 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,1-difluoropropan-2-yl)aniline is sourced from PubChem (CID 102867820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).