2,2-difluoro-3-(hept-6-enylamino)propan-1-ol

C10H19F2NO — CID 106176080

IUPAC2,2-difluoro-3-(hept-6-enylamino)propan-1-ol
SMILESC=CCCCCCNCC(F)(F)CO
InChIInChI=1S/C10H19F2NO/c1-2-3-4-5-6-7-13-8-10(11,12)9-14/h2,13-14H,1,3-9H2
InChIKeyCHWVBKSJUFUUHC-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.95
Rot. Bonds9

About 2,2-difluoro-3-(hept-6-enylamino)propan-1-ol

2,2-difluoro-3-(hept-6-enylamino)propan-1-ol (PubChem CID 106176080) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2,2-difluoro-3-(hept-6-enylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(hept-6-enylamino)propan-1-ol
PubChem CID106176080
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2,2-difluoro-3-(hept-6-enylamino)propan-1-ol
SMILESC=CCCCCCNCC(F)(F)CO
InChIInChI=1S/C10H19F2NO/c1-2-3-4-5-6-7-13-8-10(11,12)9-14/h2,13-14H,1,3-9H2
InChIKeyCHWVBKSJUFUUHC-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1,1-Trifluorooct-7-en-2-ylamino)ethanol
CID 88266527
2-(1,1,1-Trifluorooct-7-en-2-ylamino)propan-1-ol
CID 88904851
3-(Cyclohex-3-en-1-ylmethylamino)-2,2-difluoropropan-1-ol
CID 104857630
2,2-Difluoro-3-(hex-5-en-2-ylamino)propan-1-ol
CID 104860513
1,1,1-Trifluoro-3-(hept-6-enylamino)propan-2-ol
CID 105644805
1,1-Difluoro-3-(hept-6-enylamino)propan-2-ol
CID 105645178
3-(But-3-enylamino)-2,2-difluoropropan-1-ol
CID 106175992
2,2-Difluoro-3-(pent-4-enylamino)propan-1-ol
CID 106176575
3-(Cyclohex-2-en-1-ylamino)-2,2-difluoropropan-1-ol
CID 106176671
3-(Oct-7-enylamino)propan-1-ol
CID 15457837
3-(Pent-4-enylamino)propan-1-ol
CID 64314410
3-(Hept-6-enylamino)propan-1-ol
CID 107006573

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(hept-6-enylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(hept-6-enylamino)propan-1-ol (CID 106176080) is 2,2-difluoro-3-(hept-6-enylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(hept-6-enylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(hept-6-enylamino)propan-1-ol is C=CCCCCCNCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(hept-6-enylamino)propan-1-ol?
The InChIKey is CHWVBKSJUFUUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-2-3-4-5-6-7-13-8-10(11,12)9-14/h2,13-14H,1,3-9H2.
What are the key properties of 2,2-difluoro-3-(hept-6-enylamino)propan-1-ol?
2,2-difluoro-3-(hept-6-enylamino)propan-1-ol has a molecular weight of 207.26 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(hept-6-enylamino)propan-1-ol is sourced from PubChem (CID 106176080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).