3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol

C10H19F2NO — CID 146582865

IUPAC3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol
SMILESOCCCNCCCCC1CC1(F)F
InChIInChI=1S/C10H19F2NO/c11-10(12)8-9(10)4-1-2-5-13-6-3-7-14/h9,13-14H,1-8H2
InChIKeyNOHIELYFKCIBJJ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.78
Rot. Bonds8

About 3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol

3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol (PubChem CID 146582865) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol
PubChem CID146582865
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol
SMILESOCCCNCCCCC1CC1(F)F
InChIInChI=1S/C10H19F2NO/c11-10(12)8-9(10)4-1-2-5-13-6-3-7-14/h9,13-14H,1-8H2
InChIKeyNOHIELYFKCIBJJ-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(Trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64754234
3-[[2-(Trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64757056
3-[[3-(Trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64758793
2,2-Difluoro-3-(4-methylpentylamino)propan-1-ol
CID 102673320
3-(2-Cyclohexylethylamino)-2,2-difluoropropan-1-ol
CID 103529198
3-[[4-(Trifluoromethyl)cyclohexyl]methylamino]propan-1-ol
CID 104421750
3-[[3-(Trifluoromethyl)cyclohexyl]methylamino]propan-1-ol
CID 104421803
3-[(4,4-Difluorocyclohexyl)methylamino]propan-1-ol
CID 104421818
3-[[2-(Trifluoromethyl)cyclohexyl]methylamino]propan-1-ol
CID 104622120
2,2-Difluoro-3-(2-methylpentylamino)propan-1-ol
CID 104857330
3-(Cyclopentylmethylamino)-2,2-difluoropropan-1-ol
CID 104857359
2,2-Difluoro-3-[(4-methylcyclohexyl)methylamino]propan-1-ol
CID 104857379

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol?
The IUPAC name of 3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol (CID 146582865) is 3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol.
What is the SMILES notation for 3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol?
The canonical SMILES for 3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol is OCCCNCCCCC1CC1(F)F.
What is the InChIKey of 3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol?
The InChIKey is NOHIELYFKCIBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c11-10(12)8-9(10)4-1-2-5-13-6-3-7-14/h9,13-14H,1-8H2.
What are the key properties of 3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol?
3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol has a molecular weight of 207.26 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-difluorocyclopropyl)butylamino]propan-1-ol is sourced from PubChem (CID 146582865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).