(3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine

C10H18FNO — CID 145312320

IUPAC(3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine
SMILESCC(N)/C=C\C(F)=C/COC(C)C
InChIInChI=1S/C10H18FNO/c1-8(2)13-7-6-10(11)5-4-9(3)12/h4-6,8-9H,7,12H2,1-3H3/b5-4-,10-6+
InChIKeyFXVAMBKWCKFMER-VWJYOPCBSA-N
MW187.26 g/mol
LogP2.17
Rot. Bonds5

About (3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine

(3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine (PubChem CID 145312320) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine
PubChem CID145312320
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine
SMILESCC(N)/C=C\C(F)=C/COC(C)C
InChIInChI=1S/C10H18FNO/c1-8(2)13-7-6-10(11)5-4-9(3)12/h4-6,8-9H,7,12H2,1-3H3/b5-4-,10-6+
InChIKeyFXVAMBKWCKFMER-VWJYOPCBSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(E)-5-ethoxy-1-fluoropent-3-en-2-amine
CID 20466260
1-Fluoro-2-amino-5-ethoxy-3-pentene
CID 54052969
5-Ethoxy-1-fluoro-3-methylpent-3-en-2-amine
CID 54567908
1-[4-(2,2,2-Trifluoroethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 68097267
1-[4-(2,2-Difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]ethanamine
CID 87688738
(E)-5-ethoxy-1-fluoro-3-methylpent-3-en-2-amine
CID 88697805
(3E)-5-(2,2-difluoropropoxy)-3-(2-methylprop-1-enyl)hepta-3,5,6-trien-2-amine
CID 124095375
4-Fluoro-6-pentan-2-yloxycyclohexa-2,4-dien-1-amine
CID 148191835
(2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine
CID 155485579
(2Z,4E)-5-fluoro-6-propan-2-yloxyhexa-2,4-dien-1-amine
CID 156158758
(3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine
CID 163869876
(1S)-4-(3-aminopropoxy)-3,7-difluorocyclohepta-2,5-dien-1-amine
CID 167244621

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine?
The IUPAC name of (3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine (CID 145312320) is (3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine.
What is the SMILES notation for (3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine?
The canonical SMILES for (3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine is CC(N)/C=C\C(F)=C/COC(C)C.
What is the InChIKey of (3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine?
The InChIKey is FXVAMBKWCKFMER-VWJYOPCBSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8(2)13-7-6-10(11)5-4-9(3)12/h4-6,8-9H,7,12H2,1-3H3/b5-4-,10-6+.
What are the key properties of (3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine?
(3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine has a molecular weight of 187.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-fluoro-7-propan-2-yloxyhepta-3,5-dien-2-amine is sourced from PubChem (CID 145312320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).