1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol

C10H14FNO — CID 163566506

IUPAC1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol
SMILESCC(O)CNC1C=CC=CC(F)=C1
InChIInChI=1S/C10H14FNO/c1-8(13)7-12-10-5-3-2-4-9(11)6-10/h2-6,8,10,12-13H,7H2,1H3
InChIKeyFVQVNYQZIUDSGD-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.30
Rot. Bonds3

About 1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol

1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol (PubChem CID 163566506) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol
PubChem CID163566506
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol
SMILESCC(O)CNC1C=CC=CC(F)=C1
InChIInChI=1S/C10H14FNO/c1-8(13)7-12-10-5-3-2-4-9(11)6-10/h2-6,8,10,12-13H,7H2,1H3
InChIKeyFVQVNYQZIUDSGD-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 116034062
1-[(Cyclopent-3-en-1-yl)amino]-3-fluoropropan-2-ol
CID 131219842
1-[(Cyclopent-2-en-1-yl)amino]-3-fluoropropan-2-ol
CID 165786398
2-(Cyclohexa-2,4-dien-1-ylamino)ethanol
CID 89328272
2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol
CID 138703240
3-[[(E)-pent-3-enyl]amino]butan-2-ol
CID 116033935
(2S)-1-[[(E)-pent-2-enyl]amino]propan-2-ol
CID 133632400

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol?
The IUPAC name of 1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol (CID 163566506) is 1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol is CC(O)CNC1C=CC=CC(F)=C1.
What is the InChIKey of 1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol?
The InChIKey is FVQVNYQZIUDSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-8(13)7-12-10-5-3-2-4-9(11)6-10/h2-6,8,10,12-13H,7H2,1H3.
What are the key properties of 1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol?
1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol has a molecular weight of 183.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorocyclohepta-2,4,6-trien-1-yl)amino]propan-2-ol is sourced from PubChem (CID 163566506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).