5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine

C10H21ClFN — CID 106140659

IUPAC5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CCCCl)CNCCCF
InChIInChI=1S/C10H21ClFN/c1-10(2,5-3-6-11)9-13-8-4-7-12/h13H,3-9H2,1-2H3
InChIKeyFQJLQCKSGOXFDD-UHFFFAOYSA-N
MW209.74 g/mol
LogP2.98
Rot. Bonds8

About 5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine

5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine (PubChem CID 106140659) has the molecular formula C10H21ClFN and a molecular weight of 209.74 g/mol. Its IUPAC name is 5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine
PubChem CID106140659
Molecular FormulaC10H21ClFN
Molecular Weight209.74 g/mol
Exact Mass209.13
IUPAC Name5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CCCCl)CNCCCF
InChIInChI=1S/C10H21ClFN/c1-10(2,5-3-6-11)9-13-8-4-7-12/h13H,3-9H2,1-2H3
InChIKeyFQJLQCKSGOXFDD-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol
CID 106147019
5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 106140823
5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine
CID 106141093
5-chloro-N,2,2-trimethylpentan-1-amine
CID 106140604
4-chloro-2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 106140442
4-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)butan-1-amine
CID 106139906
5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine
CID 106140982
4-chloro-2,2-dimethyl-N-(3-phenoxypropyl)butan-1-amine
CID 114148906
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine
CID 106141180
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
4-chloro-N-(3-ethylsulfonylpropyl)-2,2-dimethylbutan-1-amine
CID 106140512
5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine
CID 106141095

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine (CID 106140659) is 5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine is CC(C)(CCCCl)CNCCCF.
What is the InChIKey of 5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine?
The InChIKey is FQJLQCKSGOXFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClFN/c1-10(2,5-3-6-11)9-13-8-4-7-12/h13H,3-9H2,1-2H3.
What are the key properties of 5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine?
5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine has a molecular weight of 209.74 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 106140659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).