4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol

C10H16FNO — CID 163547770

IUPAC4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol
SMILESNCCCC(O)C1=CC=C(F)CC1
InChIInChI=1S/C10H16FNO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3,5,10,13H,1-2,4,6-7,12H2
InChIKeyFGMNTEBFDSOSJM-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.66
Rot. Bonds4

About 4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol

4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol (PubChem CID 163547770) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol
PubChem CID163547770
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol
SMILESNCCCC(O)C1=CC=C(F)CC1
InChIInChI=1S/C10H16FNO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3,5,10,13H,1-2,4,6-7,12H2
InChIKeyFGMNTEBFDSOSJM-UHFFFAOYSA-N
XLogP1.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol?
The IUPAC name of 4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol (CID 163547770) is 4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol.
What is the SMILES notation for 4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol?
The canonical SMILES for 4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol is NCCCC(O)C1=CC=C(F)CC1.
What is the InChIKey of 4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol?
The InChIKey is FGMNTEBFDSOSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3,5,10,13H,1-2,4,6-7,12H2.
What are the key properties of 4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol?
4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol has a molecular weight of 185.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-fluorocyclohexa-1,3-dien-1-yl)butan-1-ol is sourced from PubChem (CID 163547770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).