3,3-difluoro-5-(methylamino)pentan-1-ol

C6H13F2NO — CID 134297406

IUPAC3,3-difluoro-5-(methylamino)pentan-1-ol
SMILESCNCCC(F)(F)CCO
InChIInChI=1S/C6H13F2NO/c1-9-4-2-6(7,8)3-5-10/h9-10H,2-5H2,1H3
InChIKeyHHMVEIRKCOAXOG-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.61
Rot. Bonds5

About 3,3-difluoro-5-(methylamino)pentan-1-ol

3,3-difluoro-5-(methylamino)pentan-1-ol (PubChem CID 134297406) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 3,3-difluoro-5-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-5-(methylamino)pentan-1-ol
PubChem CID134297406
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name3,3-difluoro-5-(methylamino)pentan-1-ol
SMILESCNCCC(F)(F)CCO
InChIInChI=1S/C6H13F2NO/c1-9-4-2-6(7,8)3-5-10/h9-10H,2-5H2,1H3
InChIKeyHHMVEIRKCOAXOG-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Methylamino)pentan-1-ol hydrochloride
CID 14448456
5-(Methylamino)pentan-1-ol
CID 11007875
5-Amino-3,3-difluoropentan-1-ol
CID 117730738
3,3-difluoro-5-methoxy-N-methylpentan-1-amine
CID 126619715
2,2-Difluoro-4-(methylamino)butan-1-ol
CID 134297411
3,3-Difluoro-5-(methylamino)pentan-1-ol;ethane
CID 142295329
3,3-Difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen
CID 142390458
3,3-Difluoro-5-(propan-2-ylamino)pentan-1-ol
CID 147787502
5-(Tert-butylamino)-3,3-difluoropentan-1-ol
CID 153299938
3,3-Difluoro-5-(propan-2-ylamino)pentan-1-ol;ethane;molecular hydrogen
CID 153623241
5-(Ethylamino)-3,3-difluoropentan-1-ol
CID 162607397
5-(2,2,2-Trifluoroethylamino)pentan-1-ol
CID 62227523

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-(methylamino)pentan-1-ol?
The IUPAC name of 3,3-difluoro-5-(methylamino)pentan-1-ol (CID 134297406) is 3,3-difluoro-5-(methylamino)pentan-1-ol.
What is the SMILES notation for 3,3-difluoro-5-(methylamino)pentan-1-ol?
The canonical SMILES for 3,3-difluoro-5-(methylamino)pentan-1-ol is CNCCC(F)(F)CCO.
What is the InChIKey of 3,3-difluoro-5-(methylamino)pentan-1-ol?
The InChIKey is HHMVEIRKCOAXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-9-4-2-6(7,8)3-5-10/h9-10H,2-5H2,1H3.
What are the key properties of 3,3-difluoro-5-(methylamino)pentan-1-ol?
3,3-difluoro-5-(methylamino)pentan-1-ol has a molecular weight of 153.17 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-(methylamino)pentan-1-ol is sourced from PubChem (CID 134297406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).