4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine

C10H16ClF2NO — CID 130751523

IUPAC4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine
SMILESFC1(F)CCCC1CNC1COCC1Cl
InChIInChI=1S/C10H16ClF2NO/c11-8-5-15-6-9(8)14-4-7-2-1-3-10(7,12)13/h7-9,14H,1-6H2
InChIKeyHCZIZKNESHIEQQ-UHFFFAOYSA-N
MW239.69 g/mol
LogP2.02
Rot. Bonds3

About 4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine

4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine (PubChem CID 130751523) has the molecular formula C10H16ClF2NO and a molecular weight of 239.69 g/mol. Its IUPAC name is 4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine
PubChem CID130751523
Molecular FormulaC10H16ClF2NO
Molecular Weight239.69 g/mol
Exact Mass239.09
IUPAC Name4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine
SMILESFC1(F)CCCC1CNC1COCC1Cl
InChIInChI=1S/C10H16ClF2NO/c11-8-5-15-6-9(8)14-4-7-2-1-3-10(7,12)13/h7-9,14H,1-6H2
InChIKeyHCZIZKNESHIEQQ-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.69
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine
CID 127002696
N-[(2,2-difluorocyclopentyl)methyl]formamide
CID 130921420
1-(2,2-difluorocyclohexyl)-N-methylmethanamine;hydrochloride
CID 163321422
1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine
CID 154691946
N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 164631263
2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
CID 127017203
1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol
CID 130908693
3-(2,2-difluorocyclopentyl)propan-1-amine
CID 105432125
cis-(1S,6R)-6-(chloroamino)-2,2-difluorocyclohexan-1-ol
CID 154938165
N-[(2,2-difluorocyclopentyl)methyl]-1,3-thiazol-2-amine
CID 131091806
(2,2-difluorocyclohexyl)methanamine;hydrochloride
CID 105441933
2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine
CID 65025611

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine?
The IUPAC name of 4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine (CID 130751523) is 4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine?
The canonical SMILES for 4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine is FC1(F)CCCC1CNC1COCC1Cl.
What is the InChIKey of 4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine?
The InChIKey is HCZIZKNESHIEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF2NO/c11-8-5-15-6-9(8)14-4-7-2-1-3-10(7,12)13/h7-9,14H,1-6H2.
What are the key properties of 4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine?
4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine has a molecular weight of 239.69 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine is sourced from PubChem (CID 130751523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).