2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine

C9H18ClF2N — CID 106117170

IUPAC2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine
SMILESCCCC(CCCl)CNCC(F)F
InChIInChI=1S/C9H18ClF2N/c1-2-3-8(4-5-10)6-13-7-9(11)12/h8-9,13H,2-7H2,1H3
InChIKeyIBSNAKYOVOACQP-UHFFFAOYSA-N
MW213.70 g/mol
LogP2.89
Rot. Bonds8

About 2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine

2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine (PubChem CID 106117170) has the molecular formula C9H18ClF2N and a molecular weight of 213.70 g/mol. Its IUPAC name is 2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine.

Molecular Properties

Compound Name2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine
PubChem CID106117170
Molecular FormulaC9H18ClF2N
Molecular Weight213.70 g/mol
Exact Mass213.11
IUPAC Name2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine
SMILESCCCC(CCCl)CNCC(F)F
InChIInChI=1S/C9H18ClF2N/c1-2-3-8(4-5-10)6-13-7-9(11)12/h8-9,13H,2-7H2,1H3
InChIKeyIBSNAKYOVOACQP-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.70
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(5R,6S)-5-chloro-6-fluoro-N-methyl-3-propylheptan-1-amine
CID 156524655
N-(3-chloro-2,2-difluoropropyl)-3-methylbutan-1-amine
CID 166500237
4-Chloro-3-ethyl-5,5-difluoroazepane
CID 175586618
N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 65024571
N-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine
CID 65024786
N-[(2-chlorocyclohexyl)methyl]-2,2-difluoroethanamine
CID 65025224
1-chloro-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 65025374
1-chloro-N-(2,2-difluoroethyl)-4-methylpentan-2-amine
CID 65025722
1-chloro-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 65025891
N-[(2-chlorocyclopentyl)methyl]-2,2-difluoroethanamine
CID 65833469
N-[(2-chlorocyclopentyl)methyl]-2,2,2-trifluoroethanamine
CID 65833660
N-[(2-chlorocyclopentyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 65834274

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine?
The IUPAC name of 2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine (CID 106117170) is 2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine.
What is the SMILES notation for 2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine?
The canonical SMILES for 2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine is CCCC(CCCl)CNCC(F)F.
What is the InChIKey of 2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine?
The InChIKey is IBSNAKYOVOACQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClF2N/c1-2-3-8(4-5-10)6-13-7-9(11)12/h8-9,13H,2-7H2,1H3.
What are the key properties of 2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine?
2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine has a molecular weight of 213.70 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine is sourced from PubChem (CID 106117170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).