N-(cyclopropylmethyl)-2,3-difluoroaniline

C10H11F2N — CID 61076617

IUPACN-(cyclopropylmethyl)-2,3-difluoroaniline
SMILESFc1cccc(NCC2CC2)c1F
InChIInChI=1S/C10H11F2N/c11-8-2-1-3-9(10(8)12)13-6-7-4-5-7/h1-3,7,13H,4-6H2
InChIKeyNXPACNQUIMYPMY-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.79
Rot. Bonds3

About N-(cyclopropylmethyl)-2,3-difluoroaniline

N-(cyclopropylmethyl)-2,3-difluoroaniline (PubChem CID 61076617) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,3-difluoroaniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,3-difluoroaniline
PubChem CID61076617
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC NameN-(cyclopropylmethyl)-2,3-difluoroaniline
SMILESFc1cccc(NCC2CC2)c1F
InChIInChI=1S/C10H11F2N/c11-8-2-1-3-9(10(8)12)13-6-7-4-5-7/h1-3,7,13H,4-6H2
InChIKeyNXPACNQUIMYPMY-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methylaniline
CID 7515
N-Ethylaniline
CID 7670
N-Isopropylaniline
CID 13032
N-Butylaniline
CID 14310
1-(2-Fluorophenyl)piperazine
CID 70529
3-Anilinopropionitrile
CID 14100
1-(3-Fluorophenyl)piperazine
CID 77418
N-Allylaniline
CID 68525
1,2-Ethanediamine, N1-phenyl-
CID 74270
N-Cyclohexylaniline
CID 74567
1-(4-Fluorophenyl)piperazine
CID 75260
4-Fluoro-N-methylaniline
CID 68024

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,3-difluoroaniline?
The IUPAC name of N-(cyclopropylmethyl)-2,3-difluoroaniline (CID 61076617) is N-(cyclopropylmethyl)-2,3-difluoroaniline.
What is the SMILES notation for N-(cyclopropylmethyl)-2,3-difluoroaniline?
The canonical SMILES for N-(cyclopropylmethyl)-2,3-difluoroaniline is Fc1cccc(NCC2CC2)c1F.
What is the InChIKey of N-(cyclopropylmethyl)-2,3-difluoroaniline?
The InChIKey is NXPACNQUIMYPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c11-8-2-1-3-9(10(8)12)13-6-7-4-5-7/h1-3,7,13H,4-6H2.
What are the key properties of N-(cyclopropylmethyl)-2,3-difluoroaniline?
N-(cyclopropylmethyl)-2,3-difluoroaniline has a molecular weight of 183.20 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,3-difluoroaniline is sourced from PubChem (CID 61076617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).