3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol

C9H18F3NO — CID 65111054

IUPAC3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-8(14,4-2)7-13-6-5-9(10,11)12/h13-14H,3-7H2,1-2H3
InChIKeyGAURGROBWKLAHB-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.08
Rot. Bonds6

About 3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol

3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol (PubChem CID 65111054) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol
PubChem CID65111054
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-8(14,4-2)7-13-6-5-9(10,11)12/h13-14H,3-7H2,1-2H3
InChIKeyGAURGROBWKLAHB-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.08
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-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol
CID 114493463
2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106292541
4-(propylaminomethyl)heptan-4-ol
CID 62774310
3-[(3-methylbutylamino)methyl]pentan-3-ol
CID 65107919
3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol
CID 65111554
3-[(decylamino)methyl]pentan-3-ol
CID 65111652
3-ethyl-7,7,7-trifluoroheptan-3-ol
CID 86640092
4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid
CID 65111208
4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
CID 106147109
3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide
CID 65111221
1-(3,3,3-trifluoropropylamino)butan-2-ol
CID 63226283
2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine
CID 104760312

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol (CID 65111054) is 3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol is CCC(O)(CC)CNCCC(F)(F)F.
What is the InChIKey of 3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol?
The InChIKey is GAURGROBWKLAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-3-8(14,4-2)7-13-6-5-9(10,11)12/h13-14H,3-7H2,1-2H3.
What are the key properties of 3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol?
3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol has a molecular weight of 213.24 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol is sourced from PubChem (CID 65111054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).