1,2,4-trifluoro-3-hexoxybutan-1-ol

C10H19F3O2 — CID 19905073

IUPAC1,2,4-trifluoro-3-hexoxybutan-1-ol
SMILESCCCCCCOC(CF)C(F)C(O)F
InChIInChI=1S/C10H19F3O2/c1-2-3-4-5-6-15-8(7-11)9(12)10(13)14/h8-10,14H,2-7H2,1H3
InChIKeyAHIFDBZCCICHCM-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.55
Rot. Bonds9

About 1,2,4-trifluoro-3-hexoxybutan-1-ol

1,2,4-trifluoro-3-hexoxybutan-1-ol (PubChem CID 19905073) has the molecular formula C10H19F3O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1,2,4-trifluoro-3-hexoxybutan-1-ol.

Molecular Properties

Compound Name1,2,4-trifluoro-3-hexoxybutan-1-ol
PubChem CID19905073
Molecular FormulaC10H19F3O2
Molecular Weight228.25 g/mol
Exact Mass228.13
IUPAC Name1,2,4-trifluoro-3-hexoxybutan-1-ol
SMILESCCCCCCOC(CF)C(F)C(O)F
InChIInChI=1S/C10H19F3O2/c1-2-3-4-5-6-15-8(7-11)9(12)10(13)14/h8-10,14H,2-7H2,1H3
InChIKeyAHIFDBZCCICHCM-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 14400535
(2S,3S,4S,5R)-2,5-di(nonoxy)hexane-1,3,4,6-tetrol
CID 175531662
icosoxymethanediol
CID 175975847
2-dodecoxy-1-sulfanyltridecan-1-ol
CID 21264637
2-hexadecoxy-1-sulfanylnonadecan-1-ol
CID 21264645
1-heptacontoxyethanol
CID 169098461
1-(1-fluoroethoxy)tridecane
CID 175410550
2-hexadecoxypropane-1,3-diol
CID 12924931
1-undecoxypropan-1-ol
CID 139971923
1-heptoxypropan-1-ol
CID 19598529
3-dodecoxypentadecane-1,2-diol
CID 87070951
1-pentan-3-yloxydecane
CID 173279604

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trifluoro-3-hexoxybutan-1-ol?
The IUPAC name of 1,2,4-trifluoro-3-hexoxybutan-1-ol (CID 19905073) is 1,2,4-trifluoro-3-hexoxybutan-1-ol.
What is the SMILES notation for 1,2,4-trifluoro-3-hexoxybutan-1-ol?
The canonical SMILES for 1,2,4-trifluoro-3-hexoxybutan-1-ol is CCCCCCOC(CF)C(F)C(O)F.
What is the InChIKey of 1,2,4-trifluoro-3-hexoxybutan-1-ol?
The InChIKey is AHIFDBZCCICHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O2/c1-2-3-4-5-6-15-8(7-11)9(12)10(13)14/h8-10,14H,2-7H2,1H3.
What are the key properties of 1,2,4-trifluoro-3-hexoxybutan-1-ol?
1,2,4-trifluoro-3-hexoxybutan-1-ol has a molecular weight of 228.25 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluoro-3-hexoxybutan-1-ol is sourced from PubChem (CID 19905073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).