2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol

C9H18F3NO — CID 106160144

IUPAC2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
SMILESCC(CO)CCCNCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(7-14)3-2-5-13-6-4-9(10,11)12/h8,13-14H,2-7H2,1H3
InChIKeyRGFKHACKOBZCQP-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.94
Rot. Bonds7

About 2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol

2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol (PubChem CID 106160144) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
PubChem CID106160144
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
SMILESCC(CO)CCCNCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(7-14)3-2-5-13-6-4-9(10,11)12/h8,13-14H,2-7H2,1H3
InChIKeyRGFKHACKOBZCQP-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.94
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

(4,4-Difluoropiperidin-3-yl)methanol
CID 67371998
(4,4-Difluoropiperidin-3-yl)methanol hydrochloride
CID 67371997
(5,5-Difluoropiperidin-3-yl)methanol
CID 84072882
(4,4-Difluoro-piperidin-3-yl)-methanol chloride
CID 86657793
2,2,2-trifluoro-N-(5-hydroxy-2-methylpentyl)acetamide
CID 87580737
N-[5,5,5-trifluoro-4-(hydroxymethyl)pentyl]acetamide
CID 88125185
(R)-(4,4-Difluoropiperidin-3-yl)methanol
CID 97291477
(S)-(4,4-Difluoropiperidin-3-yl)methanol
CID 97291478
(R)-(5,5-Difluoropiperidin-3-yl)methanol
CID 97357066
(5,5-Difluoropiperidin-3-yl)methanol hydrochloride
CID 118798393
3,3-Difluoro-5-(methylamino)pentan-1-ol
CID 134297406
(4,4-Difluoro-5-methylpiperidin-3-yl)methanol
CID 139343534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol (CID 106160144) is 2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol is CC(CO)CCCNCCC(F)(F)F.
What is the InChIKey of 2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol?
The InChIKey is RGFKHACKOBZCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-8(7-14)3-2-5-13-6-4-9(10,11)12/h8,13-14H,2-7H2,1H3.
What are the key properties of 2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol?
2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol has a molecular weight of 213.24 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol is sourced from PubChem (CID 106160144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).